SCHEMBL7470232

SCHEMBL7470232

O=[N+]([O-])c1cc2c(NCc3cccc(F)c3)ncnc2cc1N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 9/20 0.46
CLK1 P49759 1/20 0.45
EGFR P00533 3/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MET P08581 1/20 0.44
HTR6 P50406 1/20 0.43
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AURKB Q96GD4 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7470488 0.91 HTR6 (0.44) EGFRMETHTR6AURKA
SCHEMBL7463091 0.90 USP10 (0.50) EGFRCNR1CNR2HTR6
SCHEMBL7468826 0.90 EGFR (0.56) EGFRHTR6
SCHEMBL7465224 0.89 MAPT (0.44) EGFRMETHTR6ABL1SRC
SCHEMBL7463395 0.87 HTT (0.55) CLK4EGFRAURKARPS6KB1
SCHEMBL7473662 0.87 USP10 (0.47) EGFRCNR1CNR2HTR6
SCHEMBL7470206 0.87 EGFR (0.52) EGFRHTR6
SCHEMBL7475684 0.85 EGFR (0.53) EGFRMETHTR6
SCHEMBL7461647 0.85 EGFR (0.48) EGFRHTR6AURKARPS6KB1
SCHEMBL7465445 0.85 HTR6 (0.55) EGFRCNR1CNR2HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed